N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide

C20H15N3O3 — CID 25331932

IUPACN-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C20H15N3O3/c24-19(14-22-20(25)18-8-4-12-26-18)23-17-7-3-5-15(13-17)9-10-16-6-1-2-11-21-16/h1-8,11-13H,14H2,(H,22,25)(H,23,24)
InChIKeyNBHSMAHCUALEGA-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.44
Rot. Bonds4

About N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide

N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide (PubChem CID 25331932) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide
PubChem CID25331932
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C20H15N3O3/c24-19(14-22-20(25)18-8-4-12-26-18)23-17-7-3-5-15(13-17)9-10-16-6-1-2-11-21-16/h1-8,11-13H,14H2,(H,22,25)(H,23,24)
InChIKeyNBHSMAHCUALEGA-UHFFFAOYSA-N
XLogP2.44
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide
CID 55824933
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 55539689
4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 18272046
4-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18225707
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 46554269
2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 18283760
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide
CID 55549916
5-bromo-N-methyl-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]thiophene-2-carboxamide
CID 55823120
3-(3-imidazol-1-ylpropanoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55987614
2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 78889053

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide (CID 25331932) is N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)Nc1cccc(C#Cc2ccccn2)c1.
What is the InChIKey of N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide?
The InChIKey is NBHSMAHCUALEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19(14-22-20(25)18-8-4-12-26-18)23-17-7-3-5-15(13-17)9-10-16-6-1-2-11-21-16/h1-8,11-13H,14H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide?
N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 25331932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).